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# Project Tracker Status Priority Subject Assignee Updated Target version
3378 GROMACS Feature New Normal genion usage without stdin (facilitates use in gmx python api) 02/13/2020 12:04 PM
3366 GROMACS Task New Normal Enforce compability of MdModules 02/28/2020 11:20 AM
3357 GROMACS Task New Normal Make sure "colvars" interoperates stably and smoothly with gromacs 03/04/2020 11:25 AM
3353 GROMACS Task New Normal Document gmx densmap output 01/23/2020 12:52 PM
3306 GROMACS Task New Normal Document gmx dos tool more clearly Christian Blau 01/20/2020 02:31 PM GROMACS - future
3287 GROMACS Task New Normal Deprecate make_ndx, use select instead 01/23/2020 01:16 PM
3284 GROMACS Bug New Normal gmx msd cannot output two xvg files as suggested by command line option Christian Blau 01/08/2020 04:50 PM GROMACS - 2021-infrastructure-stable
3260 GROMACS Task New Low keep up to with mdspan reference implementation Christian Blau 12/20/2019 01:16 PM GROMACS - 2021-infrastructure-stable
3246 GROMACS Bug Accepted Normal GPU code misses settle error check, simulation crashes with segfault without any further output Artem Zhmurov 12/20/2019 09:52 AM GROMACS - 2021-infrastructure-stable
3245 GROMACS Bug Closed Normal Continuing mdrun from checkpoint, gromacs refuses appending despite present files Christian Blau 12/17/2019 10:42 AM GROMACS - 2020-rc1
3235 GROMACS Task New Normal Run mdrun-test in parallel and make sure they tests test critical quantities like energy conservation Christian Blau 12/12/2019 03:46 PM GROMACS - 2021-infrastructure-stable
3215 GROMACS Bug Closed Normal Density guided simulation does not output energy term when density-guided-simulation-nst > 1 Christian Blau 11/28/2019 01:24 PM GROMACS - 2020-beta3
3209 GROMACS Bug New Normal Interactive molecular dynamics with VMD becomes stuttering after reconnecting 11/19/2019 11:36 AM
3098 GROMACS Bug Closed Normal Performing input record record check and rectivication also in tests. Christian Blau 09/25/2019 07:21 AM GROMACS - 2020-beta1
3096 GROMACS Task New Normal Multiple time-stepping: correct coupling algorithms, virial calculation and energy output Christian Blau 09/18/2019 02:18 PM GROMACS - 2021-infrastructure-stable
3078 GROMACS Task New Normal Allow MD modules to register energy output fields themselves 09/06/2019 11:36 AM
3076 GROMACS Task New Normal Selectively activate MdModules during simulation instead of instantiating all of them Christian Blau 01/17/2020 02:40 PM GROMACS - 2021-infrastructure-stable
3072 GROMACS Task New Normal Use gmx::index for indexing instead of int Christian Blau 09/03/2019 04:23 PM GROMACS - 2021-infrastructure-stable
3069 GROMACS Feature New Low Iterator over span and indices into this span (zip-style iterator) Christian Blau 08/29/2019 11:11 AM GROMACS - future
3066 GROMACS Bug New Normal Gauss transform and density fit classes should operate on real values instead of float Christian Blau 08/26/2019 11:53 AM
3060 GROMACS Bug Closed Normal Internal parameter storage for IMDModules causes segfault for thread and real MPI Christian Blau 08/22/2019 10:32 AM GROMACS - 2020-infrastructure-stable
3039 GROMACS Bug Closed Normal check-source fails with python 3.6 if locale is not set to en_US.UTF-8 or similar Christian Blau 08/10/2019 06:44 AM GROMACS - 2020-infrastructure-stable
2945 GROMACS Task Closed Normal Give MdModules access to simulation resources (e.g. atom selection manager or communication infrastructure) Christian Blau 12/28/2019 10:37 AM GROMACS - 2020
2938 GROMACS Task Closed Normal Decouple building the force providers from the force calculations Christian Blau 08/09/2019 12:12 PM
2925 GROMACS Task New Normal BasicVector addition operator yields unexpected result when adding scalar Christian Blau 12/17/2019 10:04 AM GROMACS - 2021-infrastructure-stable
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